Acetal supplier | CasNO.105-57-7

Name
Ethane, 1,1-diethoxy-
EINECS 203-310-6
CAS No. 105-57-7
Article Data177
CAS DataBase
Density 0.84 g/cm³
Solubility 46 g/L (25 °C) in water
Melting Point -100 °C
Formula C₆H₁₄O₂
Boiling Point 103.6 °C at 760 mmHg
Molecular Weight 118.176
Flash Point -6°F
Transport Information UN 1088 3/PG 2
Appearance clear, colorless liquid
Safety 9-16-33
Risk Codes 11-36/38
Molecular Structure
Hazard Symbols F, Xi
Synonyms Acetaldehyde,diethyl acetal (8CI);1,1-Diethoxyethane;Acetaldehyde ethyl acetal;Diethyl acetal;Ethanal diethyl acetal;Ethylidene diethyl ether;NSC 7624;
PSA 18.46000
LogP 1.40540

Synthetic route

: 109-92-2
ethyl vinyl ether

: 105-57-7
diethyl acetal

Conditions

Conditions	Yield
With iron sulfide; hydrogen sulfide at 250℃; vapor phase;	90%
With KSF clay for 0.0833333h; Irradiation; microwave irradiation;

: 79865-08-0
vinyl β-acetylacrylate

A: 105-57-7
diethyl acetal

B: 4743-82-2
4-oxo-2-pentenoic acid

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; mercury(II) diacetate In ethanol at 70℃; for 1h;	A 84% B 0.95 g

: 22543-22-2
2-ethoxypropionamide

: 109-92-2
ethyl vinyl ether

A: 105-57-7
diethyl acetal

B: 64-17-5
ethanol

C: 114659-85-7
2-Ethoxy-N-[1-(2-ethoxy-propionylamino)-ethyl]-propionamide

Conditions

Conditions	Yield
With hydrogenchloride; hydroquinone at 82℃; for 0.25h;	A n/a B n/a C 83%

...Expand

: 74-85-1
ethene

: 201230-82-2
carbon monoxide

: 501-65-5
diphenyl acetylene

A: 105-57-7
diethyl acetal

B: 79379-59-2
5-ethyl-3,4-diphenyl-2(5H)-furanone

C: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
With ethanol; dodecacarbonyltetrarhodium(0) at 180℃; under 36775.4 Torr; for 6h;	A 25.5% B 73% C 41.7%

...Expand

: 75-07-0
acetaldehyde

: 122-51-0
orthoformic acid triethyl ester

: 105-57-7
diethyl acetal

Conditions

Conditions	Yield
With tropylium tetrafluoroborate In acetonitrile at 90℃; Flow reactor; Green chemistry;	72%
at 25℃;
With toluene-4-sulfonic acid

: 111-66-0
oct-1-ene

A: 105-57-7
diethyl acetal

B: 106-68-3
3-octanone

C: 589-63-9
octan-4-one

D: 75-07-0
acetaldehyde

E: 141-78-6
ethyl acetate

F: 111-13-7
hexyl-methyl-ketone

Conditions

Conditions	Yield
With ethanol; oxygen; lithium chloride; copper dichloride; palladium dichloride at 60℃; for 24h; Product distribution; various catalysts (Pd(II)(NH3)x/Cu(II)/Li(I)/Cl(1-) and Pd(II) (or Pd(0))/Zeolites/Cu(II)/Li(I)/Cl(1-) systems);	A n/a B n/a C n/a D n/a E n/a F 70%

...Expand

: 6974-29-4
N-(2-hydroxyethyl)-2,2,2-trifluoroacetamide

: 109-92-2
ethyl vinyl ether

A: 105-57-7
diethyl acetal

B: 1415392-92-5
N,N′-[ethane-1,1-diylbis(oxyethane-2,1-diyl)]bis-(2,2,2-trifluoroacetamide)

C: 1415392-86-7
N-[2-(1-ethoxyethoxy)ethyl]-2,2,2-trifluoroacetamide

Conditions

Conditions	Yield
With hydrogenchloride In diethyl ether for 3 - 11h; Reflux;	A n/a B n/a C 51%

...Expand

: 64-17-5
ethanol

: 64487-39-4
ethoxydimethyl(vinyloxy)silane

: 105-57-7
diethyl acetal

Conditions

Conditions	Yield
With hydrogenchloride	34%

: 64-17-5
ethanol

: 74-85-1
ethene

: 201230-82-2
carbon monoxide

: 501-65-5
diphenyl acetylene

A: 105-57-7
diethyl acetal

B: 79379-67-2
2-phenyl-3-(ethoxycarbonyl)-indanone

C: 79379-66-1
5-Ethoxy-3,4-diphenyl-2(5H)-furanone

D: 79379-59-2
5-ethyl-3,4-diphenyl-2(5H)-furanone

E: 96-22-0
pentan-3-one

Conditions

Conditions	Yield
dodecacarbonyltetrarhodium(0) at 125℃; under 36775.4 Torr; for 6h; Product distribution; the influence of reaction temperature on product yield/distribution;	A 0.5% B 11% C 4% D 31% E 0.2%

...Expand

: 110-86-1
pyridine

: 7081-78-9
1-chloroethyl ethyl ether

: 105-57-7
diethyl acetal

: 108-05-4
vinyl acetate

: 64-17-5
ethanol

: 105-57-7
diethyl acetal

Conditions

Conditions	Yield
With boron trifluoride - methanol (1/1); mercury(II) oxide
With boron trifluoride diethyl etherate; mercury(II) oxide
With boron trifluoride - methanol (1/1); mercury(II) oxide
With boron trifluoride diethyl etherate; mercury(II) oxide

: 111-34-2
-butyl vinyl ether

: 64-17-5
ethanol

A: 105-57-7
diethyl acetal

B: 57006-87-8
butane, 1-(1-ethoxyethoxy)-

C: 871-22-7
dibutyl acetal

D: 75-07-0
acetaldehyde

Conditions

Conditions	Yield
at 100 - 120℃;

...Expand

: 624-85-1
ethyl hypochlorite

: 64-17-5
ethanol

A: 105-57-7
diethyl acetal

B: 75-07-0
acetaldehyde

C: 123-63-7
paracetaldehyde

...Expand

: 639815-36-4
(1-ethoxy-ethyl)-(2-ethoxy-ethyl)-sulfide

A: 105-57-7
diethyl acetal

B: 1,1-bis-(2-ethoxy-ethylsulfanyl)-ethane

Conditions

Conditions	Yield
With 1,4-dioxane; hydrogenchloride

: 64-17-5
ethanol

: 7081-78-9
1-chloroethyl ethyl ether

: 105-57-7
diethyl acetal

: 64-17-5
ethanol

: 6986-48-7
bis-1-chloroethyl ether

: 141-52-6
sodium ethanolate

A: 105-57-7
diethyl acetal

B: 80243-06-7
1-ethoxyethyl ether

...Expand

: 64-17-5
ethanol

: 76-36-8
2,2,3-trichlorobutyraldehyde

: 555-75-9
aluminum ethoxide

A: 105-57-7
diethyl acetal

B: 116529-70-5
2,2,3-trichloro-butan-1-ol

C: 75-07-0
acetaldehyde

D: 141-78-6
ethyl acetate

...Expand

: 64-17-5
ethanol

: 861797-08-2
bromo-acetic acid-(1-bromo-ethyl ester)

A: 105-57-7
diethyl acetal

B: 74-96-4
ethyl bromide

C: 105-36-2
ethyl bromoacetate

D: 123-73-9
crotonaldehyde

...Expand

: 64-17-5
ethanol

: 860515-50-0
N,N-diethyl-benzenesulfonamide-N-oxide

: 105-57-7
diethyl acetal

: 64-17-5
ethanol

: 7610-33-5
pentaethoxyantimony

A: 105-57-7
diethyl acetal

B: 873376-62-6
triethoxyantimony

C: 75-07-0
acetaldehyde

...Expand

: 57977-96-5
bromoethyl methyl ether

A: 105-57-7
diethyl acetal

B: 74-83-9
methyl bromide

Conditions

Conditions	Yield
bei 3-woechigem Aufbewahren im geschlossenen Gefaess am Tageslicht;

: 105-57-7
diethyl acetal

: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

: 13727-36-1
5,5-bis(bromomethyl)-2-methyl-1,3-dioxane

Conditions

Conditions	Yield
With acetic acid for 1h; Heating;	100%

: 105-57-7
diethyl acetal

: 350586-97-9
[2-(3-benzyloxy-4-methoxy-phenyl)-ethyl]-carbamic acid benzyl ester

: 350586-92-4
benzyl (6-benzyloxy-7-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline)-2-carboxylate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane Heating;	100%

: 105-57-7
diethyl acetal

: 7524-52-9, 26988-71-6, 5619-09-0, 14907-27-8, 41222-70-2, 67557-19-1, 109492-62-8
(S)-tryptophan methyl ester hydrochloride

: 191279-38-6
(3S)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In N,N-dimethyl-formamide Pictet-Spengler reaction; Heating;	100%

: 105-57-7
diethyl acetal

: 98974-04-0
(4R)-4-ethyl-1,3-oxazolidin-2-one

: 634916-94-2
(4R)-3-(1-ethoxyethyl)-4-ethyl-oxazolidin-2-one

Conditions

Conditions	Yield
With 10-camphorsufonic acid In dichloromethane at 55℃;	100%
With 10-camphorsufonic acid at 55℃; for 3h;

: 105-57-7
diethyl acetal

: α-phenoxy β-N-carbomethoxy aminoxyethanol

: 93625-04-8
carbomethoxy-2 methyl-3 phenoxymethyl-5 tetrahydrodioxazine-1,4,2

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 4h; Heating;	98%

: 105-57-7
diethyl acetal

: 1097637-57-4
(R)-3-(2,5-dimethoxyphenyl)propane-1,2-diol

: 1246659-58-4
(R)-4-(2,5-dimethoxybenzyl)-2-methyl-1,3-dioxolane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 0 - 20℃;	98%

: 105-57-7
diethyl acetal

: 7677-24-9
trimethylsilyl cyanide

: 14631-45-9
1-Cyanoethyl ethyl ether

Conditions

Conditions	Yield
boron trifluoride diethyl etherate for 3h; Ambient temperature;	97%
boron trifluoride diethyl etherate for 5h; Ambient temperature;	97%

: 105-57-7
diethyl acetal

: 93624-87-4
α-p-methoxy phenoxymethyl β-N-carbomethoxy aminoxyethanol

: 93625-05-9
carbomethoxy-2 methyl-3 p-methoxy phenoxymethyl-5 tetrahydrodioxazine-1,4,2

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene for 4h; Heating;	97%

: 105-57-7
diethyl acetal

: 1132701-98-4
(R)-3-(4-bromo-2,5-dimethoxyphenyl)-1,2-propanediol

: 1246659-57-3
(R)-4-(4-bromo-2,5-dimethoxybenzyl)-2-methyl-1,3-dioxolane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 0 - 20℃;	97%

: 105-57-7
diethyl acetal

: 299-74-1, 1947-62-2, 13308-13-9, 17088-46-9, 21106-06-9, 299-75-2
treosulfan

: 155153-73-4
2,3-O-ethylidene-L-threitol 1,4-bis(methanesulfonate)

Conditions

Conditions	Yield
	96%

: 105-57-7
diethyl acetal

: 21066-72-8
diethyl tartrate

A: (2S,4R,5S)-2-Methyl-[1,3]dioxolane-4,5-dicarboxylic acid diethyl ester

B: 163250-98-4
(2R,4R,5S)-2-Methyl-[1,3]dioxolane-4,5-dicarboxylic acid diethyl ester

Conditions

Conditions	Yield
In cyclohexane for 4h; Heating; Yields of byproduct given. Title compound not separated from byproducts;	A n/a B 95%

...Expand

: 105-57-7
diethyl acetal

: 1947-62-2
treosulfan

: 155153-72-3
2,3-O-ethylidene-D-threitol 1,4-bis(methanesulfonate)

Conditions

Conditions	Yield
	95%
	95%

: 105-57-7
diethyl acetal

: (2S,3R)-methyl 3-(2-chlorophenyl)-2,3-dihydroxypropanoate

: (4S,5R)-methyl 5-(2-chlorophenyl)-2-methyl-1,3-dioxolane-4-carboxylate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In dichloromethane at 20℃;	95%
With toluene-4-sulfonic acid In dichloromethane at 20℃;	3.6 g

: 105-57-7
diethyl acetal

: 109531-53-5
2,6-bis(trimethylsiloxy)-4H-pyran

: 134923-91-4
3-(1-Ethoxy-ethyl)-6-trimethylsilanyloxy-3,4-dihydro-pyran-2-one

Conditions

Conditions	Yield
trimethylsilyl trifluoromethanesulfonate In dichloromethane for 19h; Ambient temperature;	94%

: 105-57-7
diethyl acetal

: 115289-80-0
{Os(NH3)5(2,3-η2-PhOCH3)}(Otf)2

: 1493-13-6
trifluorormethanesulfonic acid

: [Os(NH3)5(2,3-η2-4-(1-ethoxyethane)anisole)] bis(trifluoromethanesulfonate)

Conditions

Conditions	Yield
With pyridine In acetonitrile N2; acetal addn. to Os-compd. soln., CF3SO3H dissoln., both solns. cooling to -40°C and combining, pyridine (-40°C) addn. after 20 min, pptn. on mixt. addn. to 1:1 ether/CH2Cl2 soln.; ppt. filtration off, rinsing with CH2Cl2 and ether, vac. drying; ratio of diastereomers 9:1;	94%

...Expand

: 105-57-7
diethyl acetal

: 99194-79-3, 111322-25-9
1-O-(2-benzyloxycarbonylamino-2-deoxy-β-D-glucopyranosyl)-4'-O-benzyloxycarbonyl-4'-O-demethyl-1-epipodophyllotoxin

: 111275-60-6, 111322-26-0, 131177-33-8, 131177-34-9
1-O-(2-benzyloxycarbonylamino-2-deoxy-4:6-O-ethylidene-β-D-glucopyranosyl)-4'-O-benzyloxycarbonyl-4'-O-demethyl-1-epipodophyllotoxin

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In acetonitrile for 0.5h; Ambient temperature;	92%

: 105-57-7
diethyl acetal

: 20605-01-0
diethyl bis(hydroxymethyl)malonate

: 51335-74-1
5,5-diethoxycarbonyl-2-methyl-1,3-dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid at 80℃;	91%

: 105-57-7
diethyl acetal

: 120-46-7
1,3-diphenylpropanedione

: 116863-88-8
2-(1-ethoxyethyl)-1,3-diphenylpropane-1,3-dione

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78℃;	91%

: 105-57-7
diethyl acetal

: 4521-31-7
o-hydroxymethyl thiophenol

: 201139-96-0
2-methyl-4H-benzo[a][1,3]oxathiine

Conditions

Conditions	Yield
With acetaldehyde; sodium sulfate at 40℃;	91%

: 105-57-7
diethyl acetal

: 119072-55-8, 7188-38-7
tert-butylisonitrile

: 121059-16-3
2-[(E)-tert-Butylimino]-3-ethoxy-butyronitrile

Conditions

Conditions	Yield
With diethylaluminium chloride In hexane; dichloromethane for 12h; Ambient temperature;	90%

: 105-57-7
diethyl acetal

: 140149-89-9
3-Bromo-3-(trimethylsilyl)-2-phenyl-1-propene

: 140149-93-5
(Z)-1-Bromo-4-ethoxy-2-phenyl-1-pentene

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at -78℃; for 0.5h;	90%

: 105-57-7
diethyl acetal

: (2R,4R)-1,5-Bis-(3-methoxy-phenyl)-pentane-2,4-diol

: (4R,6R)-4,6-Bis-(3-methoxy-benzyl)-2-methyl-[1,3]dioxane

Conditions

Conditions	Yield
With hydrogen cation	90%

: 105-57-7
diethyl acetal

: 215935-15-2
4-O-(3"-azido-2",3"-dideoxy-α-D-arabino-hexopyranosyl)-4'-benzyloxycarbonyl-epipodophyllotoxin

: 4-O-(3"-azido-2",3"-dideoxy-4",6"-O-ethylidene-β-D-ribo-hexopyranosyl)-4'-benzyloxycarbonyl-epipodophyllotoxin

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In acetonitrile for 1h; Ambient temperature;	90%

: 105-57-7
diethyl acetal

: 24424-99-5
di-tert-butyl dicarbonate

: 156-87-6
propan-1-ol-3-amine

: 146514-21-8
N-Boc-2-methyltetrahydro-1,3-oxazine

Conditions

Conditions	Yield
Stage #1: di-tert-butyl dicarbonate; propan-1-ol-3-amine With triethylamine Stage #2: diethyl acetal With pyridinium p-toluenesulfonate	90%

...Expand

: 105-57-7
diethyl acetal

: 76704-05-7
<3aS(3aα,4α,5β,6aα)>-(+)-5-hydroxy-4-hydroxymethyl-hexahydro-2H-cyclopentafuran-2-one

: 1328921-50-1
C10H14O4

Conditions

Conditions	Yield
Stage #1: <3aS(3aα,4α,5β,6aα)>-(+)-5-hydroxy-4-hydroxymethyl-hexahydro-2H-cyclopentafuran-2-one With toluene-4-sulfonic acid In 2-methyltetrahydrofuran Inert atmosphere; Stage #2: diethyl acetal In 2-methyltetrahydrofuran for 1h; Inert atmosphere; Reflux; Stage #3: With sodium hydrogencarbonate In 2-methyltetrahydrofuran; water	90%

: 105-57-7
diethyl acetal

: 1415688-67-3
methyl 2-(4-chlorobenzyl)-8-methyl-1-oxo-7,9-dioxaspiro[4,5]decane-2-carboxylate

Conditions

Conditions	Yield
With sodium bicarbonate; p-toluenesulfonic acid monohydrate In toluene	89.2%

: 105-57-7
diethyl acetal

: 74976-84-4
ethyl 2-(trimethylsilylmethyl)acrylate

: 75366-37-9
ethyl 4-ethoxy-2-methylenepentanoate

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at 0℃; for 6h;	89%

: 105-57-7
diethyl acetal

PhCu*LiX*BF3: PhCu*LiX*BF3

: 3299-05-6
1-ethoxy-1-phenylethane

Conditions

Conditions	Yield
In diethyl ether at -30℃; for 0.5h;	89%

: 105-57-7
diethyl acetal

: 928-55-2
ethyl 1-propenyl ether

: 36551-27-6
1,1,3-triethoxy-2-methyl-butane

Conditions

Conditions	Yield
With aluminum (III) chloride at -10 - -5℃; for 0.166667h; Reagent/catalyst; Temperature; Inert atmosphere;	88%
With aluminum (III) chloride at -10 - 5℃; for 0.166667h; Reagent/catalyst; Temperature; Inert atmosphere;	88%
With iron(III) chloride
With diethyl ether; boron trifluoride at 45 - 50℃;
With boron trifluoride diethyl etherate at 65℃;

Acetal Consensus Reports

ACETAL is reported in EPA TSCA Inventory.

Acetal Standards and Recommendations

DOT Classification: 3; Label: Flammable Liquid

Acetal Specification

The Acetal, with the CAS registry number 105-57-7 and EINECS registry number 203-310-6, has the systematic name and IUPAC name of 1,1-diethoxyethane. It is a molecule with two single bonded oxygens attached to the same carbon atom. It is a kind of clear, colorless liquid, and belongs to the product category of Pharmaceutical Intermediates. And the molecular formula of the chemical is C₆H₁₄O₂. What's more, it should be stored in the refrigerator.

It is stable compared to hemiacetals but their formation is a reversible equilibrium as with esters. And It is used as protecting groups for carbonyl groups in organic synthesis as they are stable with respect to hydrolysis by bases and with respect to many oxidizing and reducing agents. And it is also used as solvent in organic synthesis.

The physical properties of Acetal are as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.14; (5)ACD/BCF (pH 5.5): 4.37; (6)ACD/BCF (pH 7.4): 4.37; (7)ACD/KOC (pH 5.5): 99.95; (8)ACD/KOC (pH 7.4): 99.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.389; (14)Molar Refractivity: 33.29 cm³; (15)Molar Volume: 140.6 cm³; (16)Polarizability: 13.19×10^-24cm³; (17)Surface Tension: 22.8 dyne/cm; (18)Density: 0.84 g/cm³; (19)Enthalpy of Vaporization: 32.85 kJ/mol; (20)Boiling Point: 103.6 °C at 760 mmHg; (21)Vapour Pressure: 37.1 mmHg at 25°C.

Preparation: This chemical can be prepared by Ethanol and acetaldehyde. The reaction will need catalyst anhydrous calcium chloride.

You should be cautious while dealing with this chemical. It is a kind of highly flammable chemcial which irritates to eyes and skin. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Keep away from sources of ignition - No smoking; Take precautionary measures against static discharges.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(C)OCC
(2)InChI: InChI=1S/C6H14O2/c1-4-7-6(3)8-5-2/h6H,4-5H2,1-3H3
(3)InChIKey: DHKHKXVYLBGOIT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)	National Technical Information Service. Vol. AD277-689,
mouse	LD50	oral	3500mg/kg (3500mg/kg)	Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(3), Pg. 12, 1977.
rabbit	LD50	oral	3545mg/kg (3545mg/kg)	Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932.
rat	LCLo	inhalation	4000ppm/4H (4000ppm)	Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat	LD50	intraperitoneal	900mg/kg (900mg/kg)	"Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New York, John Wiley & Sons, Inc., 1958-63Vol. 2, Pg. 1982, 1963.
rat	LD50	oral	4600mg/kg (4600mg/kg)	Medizin und Ernaehrung. Vol. 8, Pg. 244, 1967.

Product Name

Ethane, 1,1-diethoxy-

Synthetic route

Acetal Consensus Reports

Acetal Standards and Recommendations

Acetal Specification

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